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Cover Image, Volume 118, Issue 7
Publication year - 2018
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25604
Subject(s) - cover (algebra) , supercell , graphene , volume (thermodynamics) , function (biology) , computer science , amplitude , atom (system on chip) , diamond , physics , materials science , quantum mechanics , telecommunications , mechanical engineering , engineering , radar , evolutionary biology , composite material , biology , embedded system
When possible causes for rippling in a multivacancy graphene system are discussed, the concentration of pentagonal figures and the relative location between them are found to play key roles. In article e25529, Alvaro W Mombrú and colleagues employ an 8‐atom vacancy graphene system where a 1,4‐dimethylphenyl carbon structure was removed from pristine graphene supercells. Two different ripple arrangements were found: one with greater amplitude, following a sinusoidal function, for the system with more concentration of pentagonal figures ‐ the 6×6 supercell ‐ and a squared sinusoidal function, with milder amplitude, for the more diluted 7×7 system. (DOI: 10.1002/qua.25529 )